N,N'-Bis-[2-methoxy-cyclohepta-2,4,6-trien-(E)-ylidene]-pentane-1,5-diamine | 103590-89-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N,N'-Bis-[2-methoxy-cyclohepta-2,4,6-trien-(E)-ylidene]-pentane-1,5-diamine
• 英文别名: 2-methoxy-N-[5-[(2-methoxycyclohepta-2,4,6-trien-1-ylidene)amino]pentyl]cyclohepta-2,4,6-trien-1-imine
• CAS: 103590-89-2
• 化学式: C₂₁H₂₆N₂O₂
• 分子量: 338.45
• InChiKey: FXNGQZVLZNRYLR-UHFFFAOYSA-N

物化性质

• 沸点：
  507.4±50.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1R,2R)-1,2-二苯基乙二胺 、 N,N'-Bis-[2-methoxy-cyclohepta-2,4,6-trien-(E)-ylidene]-pentane-1,5-diamine 以 乙醇 为溶剂， 以0.79 g的产率得到
  参考文献：
  名称：

  SYNTHESIS AND X-RAY CRYSTALLOGRAPHY OF CHIRAL TROPOCORONANDS

  摘要：

  The synthesis of several chiral tropocoronands (6 and 7) has been accomplished. These compounds have been shown to complex with various metals. Tropocoronands that have been synthesized include H-2(TC-3,cyhex) through H2(TC-G,cyhex) (6) and H-2(TC-3,diphen) through H-2(TC-6,diphen) (7). The route is short and the tropocoronands are easily purified by chromatography or recrystallization. Two other groups have been incorporated into tropocoronands, H-2(TC-3,binap) (9) and H-2(TC-6,pent) (10).

  DOI：

  10.1081/scc-100000574
• 作为产物：
  描述：

  环庚三烯酚酮甲苯磺酸盐 在 三乙胺 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 N,N'-Bis-[2-methoxy-cyclohepta-2,4,6-trien-(E)-ylidene]-pentane-1,5-diamine
  参考文献：
  名称：

  SYNTHESIS AND X-RAY CRYSTALLOGRAPHY OF CHIRAL TROPOCORONANDS

  摘要：

  The synthesis of several chiral tropocoronands (6 and 7) has been accomplished. These compounds have been shown to complex with various metals. Tropocoronands that have been synthesized include H-2(TC-3,cyhex) through H2(TC-G,cyhex) (6) and H-2(TC-3,diphen) through H-2(TC-6,diphen) (7). The route is short and the tropocoronands are easily purified by chromatography or recrystallization. Two other groups have been incorporated into tropocoronands, H-2(TC-3,binap) (9) and H-2(TC-6,pent) (10).

  DOI：

  10.1081/scc-100000574